3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(4,7-dimethyl-2-oxo-chromen-3-yl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C23H25N3O7S MolecularWeight: 487.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N3O7S/c1-14-4-6-17-15(2)18(23(28)33-21(17)12-14)7-9-22(27)25-11-10-24-19-8-5-16(34(3,31)32)13-20(19)26(29)30/h4-6,8,12-13,24H,7,9-11H2,1-3H3,(H,25,27)